Chem
J-GLOBAL ID：200907027064633134   Nikkaji number：J501.089F

Physagulin B

フィサグリンB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H41ClO6
Molecular formula furigana： C30-H41-CL-O6
Molecular weight： 533.100
InChI： InChI=1S/C30H41ClO6/c1-16-13-23(37-26(34)17(16)2)18(3)21-15-25(36-19(4)32)30(35)22-14-24(33)29(31)11-8-7-10-27(29,5)20(22)9-12-28(21,30)6/h7-8,15,18,20,22-25,33,35H,9-14H2,1-6H3/t18-,20-,22+,23+,24+,25-,27+,28+,29+,30-/m0/s1
InChI key： ZTFAIKAXHBBYLX-LBEBNNPESA-N
SMILES： C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)C1=C[C@H](OC(=O)C)[C@@]2(O)[C@@H]3C[C@@H](O)[C@]4(Cl)CC=CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (20S,22R)-15α-アセトキシ-6β,14,22-トリヒドロキシ-5-クロロ-5β-エルゴスタ-2,16,24-トリエン-26-酸δ-ラクトン
  • (3S,3aR,3bR,5R,5aS,9aR,9bS,11aR)-5a-クロロ-1-[(1S)-1-[(2R)-4,5-ジメチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-3a,5-ジヒドロキシ-9a,11a-ジメチル-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-3-イル アセタート
  • (3S,3aR,3bR,5R,5aS,9aR,9bS,11aR)-5a-chloro-1-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-3a,5-dihydroxy-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl acetate
Other name (3)：
  • フィサグリンB
  • Physagulin B
  • (20S,22R)-15α-Acetoxy-6β,14,22-trihydroxy-5-chloro-5β-ergosta-2,16,24-trien-26-oic acid δ-lactone
Thsaurus map：
Thesaurus Map

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